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CHEBI:44386 - S-(2-OXO)PENTADECYLCOA

Default Structure
ChEBI IDCHEBI:44386
ChEBI NameS-(2-OXO)PENTADECYLCOA
Stars
Last Modified16 May 2008
DownloadsMolfile
FormulaC36H64N7O17P3S
Net Charge0
Average Mass991.929
Monoisotopic Mass991.32922
SMILES[H]O[C@]1([H])[C@]([H])(OP(=O)(O[H])O[H])[C@@]([H])(C([H])([H])O[P@](=O)(O[H])O[P@](=O)(O[H])OC([H])([H])C(C([H])([H])[H])(C([H])([H])[H])[C@]([H])(O[H])C(=O)N([H])C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])C([H])([H])SC([H])([H])C(=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])O[C@@]1([H])n1c([H])nc2c(N([H])[H])nc([H])nc21
InChIInChI=1S/C36H64N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-25(44)21-64-19-18-38-27(45)16-17-39-34(48)31(47)36(2,3)22-57-63(54,55)60-62(52,53)56-20-26-30(59-61(49,50)51)29(46)35(58-26)43-24-42-28-32(37)40-23-41-33(28)43/h23-24,26,29-31,35,46-47H,4-22H2,1-3H3,(H,38,45)(H,39,48)(H,52,53)(H,54,55)(H2,37,40,41)(H2,49,50,51)/t26-,29-,30-,31-,35-/m1/s1
InChIKeyJKWHUJMJVNMKEF-SXKLBCNJSA-N
ChEBI Ontology
Outgoing Relation(s)
S-(2-OXO)PENTADECYLCOA (CHEBI:44386) is a unclassifieds (CHEBI:27189)
Synonyms  Source
[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]methyl (3S)-3-hydroxy-2,2-dimethyl-4-oxo-4-{[3-oxo-3-({2-[(2-oxopentadecyl)sulfanyl]ethyl}amino)propyl]amino}butyl dihydrogen diphosphate (non-preferred name)PDBeChem
S-(2-OXO)PENTADECYLCOAPDBeChem
Manual XrefsDatabases
NHMPDBeChem